Geometry & MOs

Info

ID:	204581
PubChem CID:	79986158
Reduced:	N2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	275.134385
ΔH_f, kcal/mol:	52.65
Dipole, Da:	5.66
IP(EA), eV:	-8.87(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1-adamantyl)-1,3-thiazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CCCNCCC1=CN(C=N1)CC2=CC=NC=C2

DOS

IR

Vibrations