Geometry & MOs

Info

ID:	201219
PubChem CID:	79508434
Reduced:	FN2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	-26.08
Dipole, Da:	5.57
IP(EA), eV:	-8.31(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-pyridin-4-ylethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC2=NCCCC2

DOS

IR

Vibrations