Geometry & MOs

Info

ID:	156860
PubChem CID:	56394763
Reduced:	O4N5C22H29 (1)
Stoich.:	A4B5C22D29 (1)
Weight, g/mol:	441.237604
ΔH_f, kcal/mol:	-126.19
Dipole, Da:	1.62
IP(EA), eV:	-9.2(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[methyl-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)CN(C)C(=O)C2=CN=C(C=C2)N3C(=CC(=N3)C)C

DOS

IR

Vibrations