Geometry & MOs

Info

ID:	130723
PubChem CID:	51096614
Reduced:	F2O2N3C18H19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-126.77
Dipole, Da:	5.6
IP(EA), eV:	-8.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)C(=O)NCCNC(=O)C2=CC=CC=C2F)F

DOS

IR

Vibrations