Geometry & MOs

Info

ID:	39932
PubChem CID:	8143227
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	374.235814
ΔH_f, kcal/mol:	12.53
Dipole, Da:	9.94
IP(EA), eV:	-9.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-3-[4-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]adamantan-1-ol

Drug info:

PubChemData

Smile

COCCN(CC1=NOC(=C1)C2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations