Geometry & MOs

Info

ID:	297926
PubChem CID:	117636490
Reduced:	O3N5H25C28 (1)
Stoich.:	A3B5C25D28 (1)
Weight, g/mol:	510.201553
ΔH_f, kcal/mol:	16.18
Dipole, Da:	0.96
IP(EA), eV:	-8.27(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]-2-[4-(furan-3-yl)-2-methylpyrazol-3-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N(CC4)C(=O)CN5C=CC6=CC=CC=C65)OC

DOS

IR

Vibrations