Geometry & MOs

Info

ID:	442376
PubChem CID:	135251696
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	476.242356
ΔH_f, kcal/mol:	-24.19
Dipole, Da:	3.62
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[4-carbamoyl-5-methyl-3-(4-phenoxyphenyl)pyrazol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2CCCN(C2)C(=O)C=C)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations