Geometry & MOs

Info

ID:	275211
PubChem CID:	103814611
Reduced:	ON3C9H19 (1)
Stoich.:	AB3C9D19 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	4.16
IP(EA), eV:	-9.0(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(aminomethyl)cyclohexyl]-(2,4-dimethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)[C@@H](C)N)C

DOS

IR

Vibrations