Geometry & MOs

Info

ID:	142274
PubChem CID:	53007893
Reduced:	N2O6H22C25 (1)
Stoich.:	A2B6C22D25 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-179.02
Dipole, Da:	8.97
IP(EA), eV:	-8.11(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-ylquinazoline-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC3=C(C=C(C(=O)N3)C(=O)NC4=CC5=C(C=C4)OCCO5)C(=O)C2

DOS

IR

Vibrations