Geometry & MOs

Info

ID:	320682
PubChem CID:	126662502
Reduced:	NSCl2O3C7H7 (1)
Stoich.:	ABC2D3E7F7 (1)
Weight, g/mol:	480.382812
ΔH_f, kcal/mol:	-109.95
Dipole, Da:	5.47
IP(EA), eV:	-10.04(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-ethyl-6-[4-[[1-[[[(Z)-2-(methyliminomethyl)but-1-enyl]amino]methyl]piperidin-4-yl]methoxy]phenyl]hex-1-en-2-yl]cyclopropanamine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)Cl)S(=O)(=O)Cl

DOS

IR

Vibrations