Geometry & MOs

Info

ID:	243211
PubChem CID:	99216999
Reduced:	O3N5C23H33 (1)
Stoich.:	A3B5C23D33 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-129.01
Dipole, Da:	4.9
IP(EA), eV:	-8.58(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyano-2-propan-2-yloxyphenyl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCC[C@H](C2)C(=O)NC3=CC=CC(=C3)CN4CCC[C@@H]4C(=O)N

DOS

IR

Vibrations