Geometry & MOs

Info

ID:	133367
PubChem CID:	51516391
Reduced:	O4N6C13H16 (1)
Stoich.:	A4B6C13D16 (1)
Weight, g/mol:	386.272199
ΔH_f, kcal/mol:	-72.51
Dipole, Da:	1.04
IP(EA), eV:	-8.1(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-N-[(9-ethylcarbazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine

Drug info:

PubChemData

Smile

CN1C2=NC=NC3=C2C(=CN3[C@H]4[C@H]([C@@H]([C@@H](O4)CO)O)O)C(=N1)N

DOS

IR

Vibrations