Geometry & MOs

Info

ID:	242801
PubChem CID:	99206397
Reduced:	ClN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	417.099252
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	5.98
IP(EA), eV:	-8.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1H-pyrazolo[1,5-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)CCNC(=O)[C@H]3CCN(C3=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations