Geometry & MOs

Info

ID:	195749
PubChem CID:	78730922
Reduced:	N4O4C23H29 (1)
Stoich.:	A4B4C23D29 (1)
Weight, g/mol:	424.211055
ΔH_f, kcal/mol:	-86.13
Dipole, Da:	9.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.063454
Charge, e:	0

Chem-info

IUPAC name:

2-[(6,7-dimethoxy-4-oxo-6H-quinazolin-2-yl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+](C)CC2=NC(=O)C3=CC(C(=CC3=N2)OC)OC)C

DOS

IR

Vibrations