Geometry & MOs

Info

ID:	163793
PubChem CID:	74380284
Reduced:	O2N8C19H28 (1)
Stoich.:	A2B8C19D28 (1)
Weight, g/mol:	643.172865
ΔH_f, kcal/mol:	-3.65
Dipole, Da:	1.91
IP(EA), eV:	-8.18(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[3-[2-(3,4-dichlorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-2,2-dimethylcyclobutyl]acetyl]amino]-3-[4-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)N2C(=NC(=N2)NC3=CC=C(C=C3)OCCN4CCCC4)N

DOS

IR

Vibrations