Geometry & MOs

Info

ID:	347899
PubChem CID:	127272961
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-94.62
Dipole, Da:	5.08
IP(EA), eV:	-8.39(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-methyl-N-(2-morpholin-4-yl-3H-benzimidazol-5-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCCCC1C(=O)NC2=CC3=C(C=C2)N=C(N3)N4CCOCC4

DOS

IR

Vibrations