Geometry & MOs

Info

ID:	201213
PubChem CID:	79507207
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	238.128155
ΔH_f, kcal/mol:	-37.76
Dipole, Da:	4.97
IP(EA), eV:	-9.06(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-difluorophenyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Drug info:

PubChemData

Smile

CCC(C)N(C)CCS(=O)(=O)C1=CC=C(C=C1)C#N

DOS

IR

Vibrations