Geometry & MOs

Info

ID:	420474
PubChem CID:	135113323
Reduced:	ClO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	-57.71
Dipole, Da:	10.68
IP(EA), eV:	-8.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylbutanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=O)C=C(N1)CNC(=O)C2=C(C=CC(=C2)N3CCCCC3)Cl

DOS

IR

Vibrations