Geometry & MOs

Info

ID:	126090
PubChem CID:	50950967
Reduced:	O2N4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	3.88
Dipole, Da:	5.57
IP(EA), eV:	-9.13(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-methyl-4-oxo-N-(thiophen-3-ylmethyl)quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C2CC(=O)NCC3=C2N4C=CC=CC4=N3

DOS

IR

Vibrations