Geometry & MOs

Info

ID:	364607
PubChem CID:	127315859
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-64.8
Dipole, Da:	4.91
IP(EA), eV:	-9.09(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-adamantyl)-N,1,3-trimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C(CO1)C)C(=O)C2=CN(N=C2C)C

DOS

IR

Vibrations