Geometry & MOs

Info

ID:	349669
PubChem CID:	127275821
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	-39.86
Dipole, Da:	2.7
IP(EA), eV:	-9.29(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)C3=CC=CC4=C3CCC4

DOS

IR

Vibrations