Geometry & MOs

Info

ID:	171340
PubChem CID:	75362283
Reduced:	OCl2N5H15C18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	373.272927
ΔH_f, kcal/mol:	62.1
Dipole, Da:	6.42
IP(EA), eV:	-8.26(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(N=N2)/C=C/C(=O)NC3=CC(=C(C(=C3)Cl)N)Cl

DOS

IR

Vibrations