Geometry & MOs

Info

ID:	360318
PubChem CID:	127300961
Reduced:	OSN4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	26.99
Dipole, Da:	2.0
IP(EA), eV:	-8.89(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-benzo[e]indol-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=C(N=C(S3)C)C4=CC=CC=C4

DOS

IR

Vibrations