Geometry & MOs

Info

ID:	26131
PubChem CID:	639106
Reduced:	N3O3H11C12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-57.66
Dipole, Da:	4.23
IP(EA), eV:	-8.88(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2S)-3-[di(propan-2-yl)amino]-2-hydroxypropoxy]-1,3-dimethylpyrazol-4-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(=O)N1C=C(C(=O)N1)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations