Geometry & MOs

Info

ID:	131548
PubChem CID:	51224195
Reduced:	Cl2O2N3C17H25 (1)
Stoich.:	A2B2C3D17E25 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-111.05
Dipole, Da:	5.19
IP(EA), eV:	-9.71(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN(C)C(C)C(=O)NC(C)C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations