Geometry & MOs

Info

ID:	38079
PubChem CID:	8026827
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	413.146345
ΔH_f, kcal/mol:	-58.44
Dipole, Da:	2.54
IP(EA), eV:	-9.33(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CC1=NNC(=O)C2=CC=CC=C21

DOS

IR

Vibrations