Geometry & MOs

Info

ID:	39943
PubChem CID:	8143239
Reduced:	O3N6C20H27 (1)
Stoich.:	A3B6C20D27 (1)
Weight, g/mol:	390.214129
ΔH_f, kcal/mol:	-35.75
Dipole, Da:	12.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763795
Charge, e:	1

Chem-info

IUPAC name:

2-methoxyethyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C[NH+](CCOC)CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations