Geometry & MOs

Info

ID:	213647
PubChem CID:	81064486
Reduced:	N2O4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	299.103669
ΔH_f, kcal/mol:	-190.1
Dipole, Da:	3.42
IP(EA), eV:	-9.92(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1CC1C(=O)NCCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations