Geometry & MOs

Info

ID:	39913
PubChem CID:	8143195
Reduced:	O3N5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	396.196154
ΔH_f, kcal/mol:	-118.4
Dipole, Da:	6.27
IP(EA), eV:	-9.21(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-[(2-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=O)NC(=O)CN(CCCC)CC1=NC(=O)C2=CC=CC=C2N1

DOS

IR

Vibrations