Geometry & MOs

Info

ID:	150866
PubChem CID:	53790563
Reduced:	OF2C27H40 (1)
Stoich.:	AB2C27D40 (1)
Weight, g/mol:	464.161518
ΔH_f, kcal/mol:	-191.31
Dipole, Da:	2.95
IP(EA), eV:	-9.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-methylphenyl)-2-(2,3-dihydrobenzotriazol-1-yl)-3-oxobutanamide;1-phenylethanone

Drug info:

PubChemData

Smile

CCCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C(=O)C(C)(F)F

DOS

IR

Vibrations