Geometry & MOs

Info

ID:	46546
PubChem CID:	10525107
Reduced:	O3N7C18H39 (1)
Stoich.:	A3B7C18D39 (1)
Weight, g/mol:	401.187005
ΔH_f, kcal/mol:	-148.55
Dipole, Da:	6.85
IP(EA), eV:	-9.15(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]-4-hydroxybutanamide

Drug info:

PubChemData

Smile

CN(CCCCNCCCN)C(=O)OCC(=O)NCCCCCCN=C(N)N

DOS

IR

Vibrations