Geometry & MOs

Info

ID:	443735
PubChem CID:	135259875
Reduced:	O2N4C33H42 (1)
Stoich.:	A2B4C33D42 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-17.11
Dipole, Da:	6.61
IP(EA), eV:	-8.46(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-4-benzyl-N-(3-methoxyphenyl)-3,5-dimethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CC(=C2)CN3CCN(CC3)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)C(=O)O

DOS

IR

Vibrations