Geometry & MOs

Info

ID:	369429
PubChem CID:	127333367
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-79.29
Dipole, Da:	2.92
IP(EA), eV:	-8.41(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-oxo-2-propan-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NC(=O)N3CC[C@@H](C3)O

DOS

IR

Vibrations