Geometry & MOs

Info

ID:	84007
PubChem CID:	49863172
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	423.158292
ΔH_f, kcal/mol:	-105.32
Dipole, Da:	4.82
IP(EA), eV:	-9.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-benzodioxol-5-yl)quinazolin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NCCN1C(=O)/C(=C/CCC2=CC=CC=C2)/SC1=O

DOS

IR

Vibrations