Geometry & MOs

Info

ID:	358877
PubChem CID:	127296748
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	-30.7
Dipole, Da:	2.37
IP(EA), eV:	-8.55(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-adamantyl)-3-[(1S)-1-pyridin-3-ylethyl]urea

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)NC(=O)N2CCN(CC2)CC3CCCCN3C

DOS

IR

Vibrations