Geometry & MOs

Info

ID:	388490
PubChem CID:	134989310
Reduced:	IN2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	241.157898
ΔH_f, kcal/mol:	31.64
Dipole, Da:	5.15
IP(EA), eV:	-8.6(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-6-pyridin-4-yl-3H-azepin-2-amine

Drug info:

PubChemData

Smile

C1CCCC2=C(CC1)CC(=NC(=C2)I)N

DOS

IR

Vibrations