Geometry & MOs

Info

ID:	71853
PubChem CID:	48415539
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	415.200825
ΔH_f, kcal/mol:	11.42
Dipole, Da:	5.28
IP(EA), eV:	-8.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)CCC(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations