Geometry & MOs

Info

ID:	196418
PubChem CID:	78820953
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	429.183461
ΔH_f, kcal/mol:	-70.05
Dipole, Da:	4.53
IP(EA), eV:	-8.52(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(=O)NC2=CN=C(C=C2)OC

DOS

IR

Vibrations