Geometry & MOs

Info

ID:	325150
PubChem CID:	126681533
Reduced:	N2O2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	497.24269
ΔH_f, kcal/mol:	16.33
Dipole, Da:	3.36
IP(EA), eV:	-8.66(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[(3-anilinophenyl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C2=CC=CO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations