Geometry & MOs

Info

ID:	353106
PubChem CID:	127284286
Reduced:	O3N5C17H25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	381.241627
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	5.05
IP(EA), eV:	-8.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-adamantylamino)phenyl]-2-(2-oxopiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)N3CCCN(CC3)CCOC

DOS

IR

Vibrations