Geometry & MOs

Info

ID:	349255
PubChem CID:	127274981
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-59.9
Dipole, Da:	4.91
IP(EA), eV:	-8.67(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7,8,9-tetrahydro-5H-carbazol-3-yl-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CC2=CC3=C(C=C2)OCCO3)CC4=CSC=N4

DOS

IR

Vibrations