Geometry & MOs

Info

ID:	191305
PubChem CID:	78128260
Reduced:	N2O10C35H54 (1)
Stoich.:	A2B10C35D54 (1)
Weight, g/mol:	359.165207
ΔH_f, kcal/mol:	-208.58
Dipole, Da:	9.84
IP(EA), eV:	-9.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[[(3-chloro-1-adamantyl)amino]methyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)CC(=NOC(=O)N(C)C)C5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)C

DOS

IR

Vibrations