Geometry & MOs

Info

ID:	422771
PubChem CID:	135118384
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	313.079346
ΔH_f, kcal/mol:	-72.81
Dipole, Da:	4.43
IP(EA), eV:	-8.42(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4,5-difluoro-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OC)CC=C)CN(CCO)CC2=CN=C(N2)C

DOS

IR

Vibrations