Geometry & MOs

Info

ID:	363427
PubChem CID:	127311230
Reduced:	O2S2N3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	-18.66
Dipole, Da:	4.52
IP(EA), eV:	-8.86(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylmorpholin-2-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)C2=CN=C(S2)C3=CSC=C3

DOS

IR

Vibrations