Geometry & MOs

Info

ID:	183873
PubChem CID:	77084046
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	31.91
Dipole, Da:	4.33
IP(EA), eV:	-8.98(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)CN(C)CC2=C(N(N=C2C)C)C

DOS

IR

Vibrations