Geometry & MOs

Info

ID:

227479

PubChem CID:

87561827

Reduced:

O3C13H16 (1)

Stoich.:

A3B13C16 (1)

Weight, g/mol:

672.261204

ΔHf, kcal/mol:

-25.94

Dipole, Da:

2.25

IP(EA), eV:

-8.71(-0.33)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea;[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate

Drug info:

PubChemData

Smile

C1CCOC=C(C1)OOCC2=CC=CC=C2

DOS

IR

Vibrations