Geometry & MOs

Info

ID:	368274
PubChem CID:	127327851
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-76.44
Dipole, Da:	1.1
IP(EA), eV:	-9.4(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidocyclohexyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCCNC(=O)CC3CCCC3

DOS

IR

Vibrations