Geometry & MOs

Info

ID:	433945
PubChem CID:	135174092
Reduced:	OSN7C38H41 (1)
Stoich.:	ABC7D38E41 (1)
Weight, g/mol:	394.04475
ΔH_f, kcal/mol:	89.71
Dipole, Da:	6.28
IP(EA), eV:	-8.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[2-[(2-bromo-4-chlorophenyl)methoxy]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(S2)CN(C3)C(=O)CN4CCCC4)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CN8CCCC8)C

DOS

IR

Vibrations