Geometry & MOs

Info

ID:	336261
PubChem CID:	127255268
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	-96.55
Dipole, Da:	7.19
IP(EA), eV:	-8.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=O)C(=CN3)OC

DOS

IR

Vibrations