Geometry & MOs

Info

ID:	420990
PubChem CID:	135115168
Reduced:	NO3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-233.38
Dipole, Da:	7.28
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(morpholine-4-carbonyl)-N-[(1-propylimidazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)OC)C(=O)O

DOS

IR

Vibrations