Geometry & MOs

Info

ID:	39891
PubChem CID:	8143148
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	336.207587
ΔH_f, kcal/mol:	-23.54
Dipole, Da:	7.68
IP(EA), eV:	-8.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

butyl-[(4-methylphenyl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations