Geometry & MOs

Info

ID:	62371
PubChem CID:	26719643
Reduced:	N4O5C18H22 (1)
Stoich.:	A4B5C18D22 (1)
Weight, g/mol:	431.05275
ΔH_f, kcal/mol:	-136.63
Dipole, Da:	11.14
IP(EA), eV:	-9.43(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2C(=O)C3(CCCCC3)NC2=O

DOS

IR

Vibrations