Geometry & MOs

Info

ID:	308645
PubChem CID:	126497243
Reduced:	N2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	356.246378
ΔH_f, kcal/mol:	93.01
Dipole, Da:	2.38
IP(EA), eV:	-8.42(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R,10S)-17-(cyclopropylmethyl)-10-ethyl-13-(methylamino)-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol

Drug info:

PubChemData

Smile

CC1C(C2=CC=CC=C2N3C1N(C4=NC=CN=C43)C)CC=C

DOS

IR

Vibrations