Geometry & MOs

Info

ID:	18768
PubChem CID:	547630
Reduced:	O3N5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	387.22704
ΔH_f, kcal/mol:	-76.49
Dipole, Da:	6.96
IP(EA), eV:	-8.55(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(dimethylamino)-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetyl]amino]-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C(=O)NC(C)C(=O)N(C)C)N(C)C

DOS

IR

Vibrations