Geometry & MOs

Info

ID:	336090
PubChem CID:	127255097
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-46.55
Dipole, Da:	4.18
IP(EA), eV:	-8.32(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)N2CCC(CC2)C3=NN=C4N3C=CC=C4

DOS

IR

Vibrations