Geometry & MOs

Info

ID:	269023
PubChem CID:	103605815
Reduced:	N2O2C13H26 (1)
Stoich.:	A2B2C13D26 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	-97.86
Dipole, Da:	4.6
IP(EA), eV:	-9.39(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[phenyl(pyridin-4-yl)methyl]but-2-en-1-amine

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CNCCCOCC1CC1

DOS

IR

Vibrations