Geometry & MOs

Info

ID:	84
PubChem CID:	2092
Reduced:	O4N5C19H27 (1)
Stoich.:	A4B5C19D27 (1)
Weight, g/mol:	389.206304
ΔH_f, kcal/mol:	-119.69
Dipole, Da:	4.57
IP(EA), eV:	-8.08(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC

DOS

IR

Vibrations