Geometry & MOs

Info

ID:	445897
PubChem CID:	135269891
Reduced:	ON3C26H37 (1)
Stoich.:	AB3C26D37 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-23.57
Dipole, Da:	4.14
IP(EA), eV:	-8.53(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-4-[(4-carbamoylphenyl)methyl]-N-(4-methoxyphenyl)-3,5-dimethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC(=CC=C1)C(=O)N2C(CN(CC2C)CC3=CC=C(C=C3)C)C

DOS

IR

Vibrations