Geometry & MOs

Info

ID:	69291
PubChem CID:	46530594
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	473.267842
ΔH_f, kcal/mol:	-65.97
Dipole, Da:	6.37
IP(EA), eV:	-8.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)N3CCOCC3

DOS

IR

Vibrations