Geometry & MOs

Info

ID:	161258
PubChem CID:	57391176
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	447.201888
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	3.39
IP(EA), eV:	-8.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]pyrazol-1-yl]-N-[4-(dimethylamino)phenyl]acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)OC)N=C1/C=C/C(=O)/C=C/C3=CC(=C(C=C3)OC)O

DOS

IR

Vibrations