Geometry & MOs

Info

ID:	187118
PubChem CID:	77531691
Reduced:	O3N4H24C25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	511.214344
ΔH_f, kcal/mol:	-4.58
Dipole, Da:	6.36
IP(EA), eV:	-8.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,3-difluoro-N-[7-[3-(1-hydroxypropan-2-ylamino)propoxy]quinazolin-4-yl]anilino)pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)C4=CC=C(O4)C(=O)NC(C5CC5)C(=O)NC

DOS

IR

Vibrations