Geometry & MOs

Info

ID:	309717
PubChem CID:	126555966
Reduced:	ClOSN5C14H18 (1)
Stoich.:	ABCD5E14F18 (1)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	27.67
Dipole, Da:	3.74
IP(EA), eV:	-8.26(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[(Z)-1,2,3,4-tetrahydro-1-benzazepin-5-ylidenemethyl]piperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CC1CN(CCN1)C(=S)N/N=C\2/CCOC3=C2N=CC(=C3)Cl

DOS

IR

Vibrations