Geometry & MOs

Info

ID:	448648
PubChem CID:	135292456
Reduced:	ON2C30H54 (1)
Stoich.:	AB2C30D54 (1)
Weight, g/mol:	359.257277
ΔH_f, kcal/mol:	-115.16
Dipole, Da:	4.13
IP(EA), eV:	-8.18(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-2-(7-ethyl-3-hydroxy-3-methyl-1-bicyclo[3.3.1]nonanyl)acetyl]-6-methyl-2-azabicyclo[3.1.0]hexane-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C2CCN(C2=N1)C)CCC(C)CCCC(C)CCCC(C)CCCC(C)C)OC

DOS

IR

Vibrations