Geometry & MOs

Info

ID:	208822
PubChem CID:	80590558
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	274.113984
ΔH_f, kcal/mol:	-53.64
Dipole, Da:	2.68
IP(EA), eV:	-8.76(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)cyclopropane-1-carbothioamide

Drug info:

PubChemData

Smile

CCC(C)(C)N(C)C(=O)C1(CCC1)C(=S)N

DOS

IR

Vibrations