Geometry & MOs

Info

ID:	169519
PubChem CID:	75115785
Reduced:	NO4H11C12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	520.269908
ΔH_f, kcal/mol:	-53.79
Dipole, Da:	4.26
IP(EA), eV:	-10.69(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-3,4-dimethyl-N-naphthalen-1-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(=C)C(=O)O1)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations