Geometry & MOs

Info

ID:	40344
PubChem CID:	8143969
Reduced:	O2N4C16H23 (1)
Stoich.:	A2B4C16D23 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-38.7
Dipole, Da:	4.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762563
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C[NH+](C)CC1=NC(=O)C2=CC=CC=C2N1

DOS

IR

Vibrations