Geometry & MOs

Info

ID:	369493
PubChem CID:	127334227
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	396.277678
ΔH_f, kcal/mol:	-23.88
Dipole, Da:	6.47
IP(EA), eV:	-9.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohex-3-en-1-yl-3-[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)NC3CCC=CC3

DOS

IR

Vibrations