Geometry & MOs

Info

ID:	195754
PubChem CID:	78731081
Reduced:	FO2N4C21H31 (1)
Stoich.:	AB2C4D21E31 (1)
Weight, g/mol:	430.281815
ΔH_f, kcal/mol:	-136.04
Dipole, Da:	6.43
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-acetamidoanilino)-2-oxoethyl]-butyl-[(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCCCN(CC1NC2CCCCC2C(=O)N1)CC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations