Geometry & MOs

Info

ID:	261877
PubChem CID:	103256585
Reduced:	NO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	291.219829
ΔH_f, kcal/mol:	-113.04
Dipole, Da:	3.11
IP(EA), eV:	-9.14(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3,5-dimethyl-1-adamantyl)amino]-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)NC(C4CC4)C(=O)OC)C

DOS

IR

Vibrations