Geometry & MOs

Info

ID:	292245
PubChem CID:	114540824
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	295.262363
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	6.2
IP(EA), eV:	-9.38(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopropylamino)-3-(3,4,5-trimethylpiperazin-1-yl)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC1(CCC(C1)NC(=O)C2=C(C(=CC=C2)N)[N+](=O)[O-])C

DOS

IR

Vibrations