Geometry & MOs

Info

ID:	294862
PubChem CID:	117501012
Reduced:	N3O5H13C15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	315.144613
ΔH_f, kcal/mol:	-102.01
Dipole, Da:	5.03
IP(EA), eV:	-9.35(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CN1C(=O)CN(CC1=O)C2=CC=CC(=C2)C3=NOC(=C3)C(=O)O

DOS

IR

Vibrations