Geometry & MOs

Info

ID:	222718
PubChem CID:	85332091
Reduced:	N5O5C25H33 (1)
Stoich.:	A5B5C25D33 (1)
Weight, g/mol:	487.210721
ΔH_f, kcal/mol:	-143.38
Dipole, Da:	11.99
IP(EA), eV:	-9.61(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=NC(=O)C2=CC(=C=CCNC3CCCCCN3)C=CC2=N1)C(=O)O

DOS

IR

Vibrations