Geometry & MOs

Info

ID:	364734
PubChem CID:	127316040
Reduced:	SO2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	-30.41
Dipole, Da:	6.01
IP(EA), eV:	-8.95(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations