Geometry & MOs

Info

ID:	156527
PubChem CID:	56371009
Reduced:	O2N6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	13.01
Dipole, Da:	4.86
IP(EA), eV:	-8.74(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1C3CCCN3C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

DOS

IR

Vibrations