Geometry & MOs

Info

ID:	282732
PubChem CID:	103937430
Reduced:	N6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	281.189198
ΔH_f, kcal/mol:	84.15
Dipole, Da:	6.99
IP(EA), eV:	-8.89(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)N2CCN3C=NN=C3C2)N

DOS

IR

Vibrations