Geometry & MOs

Info

ID:	364507
PubChem CID:	127315759
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	290.235814
ΔH_f, kcal/mol:	-27.44
Dipole, Da:	3.7
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC(=NO2)C)C

DOS

IR

Vibrations