Geometry & MOs

Info

ID:	142276
PubChem CID:	53008009
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-86.46
Dipole, Da:	6.11
IP(EA), eV:	-8.57(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylquinazoline-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCNC(=O)C2=NC3=CC=CC=C3C(=N2)N4CCOCC4)OCC

DOS

IR

Vibrations