Geometry & MOs

Info

ID:	392221
PubChem CID:	135013753
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	300.220164
ΔH_f, kcal/mol:	-75.07
Dipole, Da:	3.88
IP(EA), eV:	-10.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-N-tert-butyl-7-ethyl-2-methoxy-4-phenyl-4,5-dihydro-3H-azepin-5-amine

Drug info:

PubChemData

Smile

CCC[C@H]1C[C@@H]1C(=O)C(=CC)C(=O)C

DOS

IR

Vibrations