Geometry & MOs

Info

ID:	126951
PubChem CID:	50985228
Reduced:	N3C13H19 (1)
Stoich.:	A3B13C19 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	58.69
Dipole, Da:	6.83
IP(EA), eV:	-9.61(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-4-one

Drug info:

PubChemData

Smile

CC1([C@H]2CC=C([C@@H]1C2)CCN3C=NN=C3)C

DOS

IR

Vibrations