Geometry & MOs

Info

ID:	56158
PubChem CID:	17422308
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	382.180504
ΔH_f, kcal/mol:	-94.04
Dipole, Da:	3.79
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CCCC(=O)NC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations