Geometry & MOs

Info

ID:	75808
PubChem CID:	48424009
Reduced:	N2O3C23H24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	-70.51
Dipole, Da:	2.09
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC2=CC=CC=C21)C(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations