Geometry & MOs

Info

ID:	142275
PubChem CID:	53008008
Reduced:	N4O4C23H26 (1)
Stoich.:	A4B4C23D26 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-75.29
Dipole, Da:	6.18
IP(EA), eV:	-8.42(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)C2=NC3=CC=CC=C3C(=N2)N4CCOCC4)OC

DOS

IR

Vibrations