Geometry & MOs

Info

ID:	237338
PubChem CID:	92718754
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	50.84
Dipole, Da:	4.99
IP(EA), eV:	-8.99(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-1-adamantyl-(2-methyl-5-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])[C@@H](C2=CC3=CC=CC=C3C=C2)N

DOS

IR

Vibrations