Geometry & MOs

Info

ID:	41554
PubChem CID:	8146274
Reduced:	ClN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	382.204513
ΔH_f, kcal/mol:	-153.85
Dipole, Da:	2.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757774
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCC[C@@H](C2)C(=O)OCC)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations