Geometry & MOs

Info

ID:	347900
PubChem CID:	127272962
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-14.57
Dipole, Da:	2.16
IP(EA), eV:	-8.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)N4CCOCC4)C

DOS

IR

Vibrations