Geometry & MOs

Info

ID:	27481
PubChem CID:	821558
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	296.094963
ΔH_f, kcal/mol:	-73.11
Dipole, Da:	2.95
IP(EA), eV:	-9.31(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoylpyrrolo[2,1-a]isoquinoline-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C[C@H]2[C@H](C1)C(=O)N(C2=O)CC3=CC=CC=C3)C

DOS

IR

Vibrations