Geometry & MOs

Info

ID:	204705
PubChem CID:	79999126
Reduced:	N2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	269.154642
ΔH_f, kcal/mol:	-30.57
Dipole, Da:	3.1
IP(EA), eV:	-7.48(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC23CC4CC(C2)(CC(C4)(C3)C)C)N

DOS

IR

Vibrations