Geometry & MOs

Info

ID:	34531
PubChem CID:	7978632
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	393.145534
ΔH_f, kcal/mol:	-119.64
Dipole, Da:	2.55
IP(EA), eV:	-8.7(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations