Geometry & MOs

Info

ID:	266805
PubChem CID:	103579531
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-23.36
Dipole, Da:	2.89
IP(EA), eV:	-8.97(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yladamantane-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CCOC1=CC=CC=C1

DOS

IR

Vibrations