Geometry & MOs

Info

ID:	129215
PubChem CID:	51071956
Reduced:	N2O3C11H12 (2)
Stoich.:	A2B3C11D12 (2)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-126.53
Dipole, Da:	10.63
IP(EA), eV:	-9.54(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCCNC(=O)[C@@H]2CCCN2C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations