Geometry & MOs

Info

ID:	415113
PubChem CID:	135088099
Reduced:	FNO6C22H22 (1)
Stoich.:	ABC6D22E22 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	-217.43
Dipole, Da:	7.1
IP(EA), eV:	-8.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations