Geometry & MOs

Info

ID:	125748
PubChem CID:	50936712
Reduced:	N2C23H27 (2)
Stoich.:	A2B23C27 (2)
Weight, g/mol:	382.178024
ΔH_f, kcal/mol:	103.07
Dipole, Da:	1.04
IP(EA), eV:	-7.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-acetyloxy-2-[(2-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CCCN(CCC)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C3=C(N=C(C(=N3)C)C4=CC=C(C=C4)/C=C/C5=CC=C(C=C5)N(CCC)CCC)C

DOS

IR

Vibrations