Geometry & MOs

Info

ID:	75652
PubChem CID:	48423800
Reduced:	NCl2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-73.85
Dipole, Da:	4.85
IP(EA), eV:	-9.42(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)N(C)C(=O)C(C)OCC2CC2

DOS

IR

Vibrations