Geometry & MOs

Info

ID:	145452
PubChem CID:	53527059
Reduced:	N2O3C13H24 (1)
Stoich.:	A2B3C13D24 (1)
Weight, g/mol:	302.210661
ΔH_f, kcal/mol:	-152.11
Dipole, Da:	2.47
IP(EA), eV:	-9.1(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-adamantyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)CN2CCC(CC2)CO

DOS

IR

Vibrations