Geometry & MOs

Info

ID:	130811
PubChem CID:	51111314
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	373.103811
ΔH_f, kcal/mol:	-138.06
Dipole, Da:	7.82
IP(EA), eV:	-8.73(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCNC(=O)/C=C/C1=C(N(C(=C1C(=O)OCC)C)CC)C

DOS

IR

Vibrations