Geometry & MOs

Info

ID:	157655
PubChem CID:	56436319
Reduced:	ClO2N5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	51.3
Dipole, Da:	7.24
IP(EA), eV:	-8.96(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[methyl-[4-(4-methylpyrazol-1-yl)benzoyl]amino]butanoate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations