Geometry & MOs

Info

ID:	190515
PubChem CID:	78014818
Reduced:	OC5H8 (3)
Stoich.:	AB5C8 (3)
Weight, g/mol:	457.284161
ΔH_f, kcal/mol:	-63.28
Dipole, Da:	3.92
IP(EA), eV:	-8.61(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(aminomethyl)-4-methyl-2-[3-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]phenyl]pentanamide

Drug info:

PubChemData

Smile

CC1=CC(C(CC1)C(C)(CC(C)O)C2=CO2)OC

DOS

IR

Vibrations