Geometry & MOs

Info

ID:	368805
PubChem CID:	127330193
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-55.14
Dipole, Da:	6.19
IP(EA), eV:	-8.77(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)C3CCCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations