Geometry & MOs

Info

ID:	299423
PubChem CID:	117682887
Reduced:	ON2C33H38 (1)
Stoich.:	AB2C33D38 (1)
Weight, g/mol:	543.309707
ΔH_f, kcal/mol:	89.32
Dipole, Da:	1.22
IP(EA), eV:	-8.24(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-[2-[adamantane-1-carbonyl(methyl)amino]acetyl]piperazin-1-yl]-phenylmethyl]benzoate

Drug info:

PubChemData

Smile

CC#CC#CC#CC1CCC(CC1)COC2CCC(CC2)C3=CC=C(C=C3)CC4=CC(=CC(=C4)N)N

DOS

IR

Vibrations