Geometry & MOs

Info

ID:	335644
PubChem CID:	127254506
Reduced:	N3O7C24H27 (1)
Stoich.:	A3B7C24D27 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-238.46
Dipole, Da:	7.35
IP(EA), eV:	-9.05(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-4-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=CC=C3OCC(=O)OC)O

DOS

IR

Vibrations