Geometry & MOs

Info

ID:	60506
PubChem CID:	26697107
Reduced:	N4O4C19H29 (1)
Stoich.:	A4B4C19D29 (1)
Weight, g/mol:	376.211055
ΔH_f, kcal/mol:	-57.79
Dipole, Da:	6.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753467
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC[NH+]3CCOCC3)[N+](=O)[O-]

DOS

IR

Vibrations