Geometry & MOs

Info

ID:	182541
PubChem CID:	76902808
Reduced:	ClO3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-21.16
Dipole, Da:	5.65
IP(EA), eV:	-8.29(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclopropyl-6,7-dimethoxyquinazolin-4-yl)-N-(2-methoxyphenyl)piperidin-4-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5CC5)Cl

DOS

IR

Vibrations