Geometry & MOs

Info

ID:	204373
PubChem CID:	79955948
Reduced:	NOSC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	3.89
IP(EA), eV:	-8.38(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,5-dimethylthian-3-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Drug info:

PubChemData

Smile

CC1(CC(CSC1)NCC2=CC=CC=C2OC)C

DOS

IR

Vibrations