Geometry & MOs

Info

ID:	443489
PubChem CID:	135259178
Reduced:	ON2C15H24 (2)
Stoich.:	AB2C15D24 (2)
Weight, g/mol:	347.99709
ΔH_f, kcal/mol:	-109.28
Dipole, Da:	7.12
IP(EA), eV:	-9.11(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-(2-acetyl-4-iodo-5-methylpyrazol-3-yl)but-2-enoate

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=N1)N/C(=C/C(=C(\C)/C(=O)NC2(CCCCC2)C(C)CC)/C)/C(=O)C)CC(C)CC

DOS

IR

Vibrations