Geometry & MOs

Info

ID:	156647
PubChem CID:	56371528
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	447.263425
ΔH_f, kcal/mol:	-85.22
Dipole, Da:	2.54
IP(EA), eV:	-8.42(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=NC=C(C=C2)NC(=O)N[C@H]3[C@H](CC4=CC=CC=C34)O)OC

DOS

IR

Vibrations