Geometry & MOs

Info

ID:	315204
PubChem CID:	126624988
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-21.04
Dipole, Da:	9.11
IP(EA), eV:	-8.32(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-ethyl-5-(methylamino)-2,3-dihydropyrrol-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)N2CC(C(=C2N)C3=NC4=CC=CC=C4N3)O

DOS

IR

Vibrations