Geometry & MOs

Info

ID:	243810
PubChem CID:	99239746
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	415.10077
ΔH_f, kcal/mol:	-121.26
Dipole, Da:	2.56
IP(EA), eV:	-9.11(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OCC3CC3

DOS

IR

Vibrations