Geometry & MOs

Info

ID:	14526
PubChem CID:	413656
Reduced:	ClNO5C24H28 (1)
Stoich.:	ABC5D24E28 (1)
Weight, g/mol:	445.165601
ΔH_f, kcal/mol:	-171.19
Dipole, Da:	2.41
IP(EA), eV:	-8.49(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloroethyl)-N-[(4,4-dimethyl-11-phenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1(OC2C3C(C(OC(O3)C4=CC=CC=C4)CN(CCCl)C5=CC=CC=C5)OC2O1)C

DOS

IR

Vibrations