Geometry & MOs

Info

ID:	165561
PubChem CID:	74567007
Reduced:	N3O6C25H26 (1)
Stoich.:	A3B6C25D26 (1)
Weight, g/mol:	260.165054
ΔH_f, kcal/mol:	-77.56
Dipole, Da:	7.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769099
Charge, e:	1

Chem-info

IUPAC name:

1-hydroxybutan-2-yl-[(6-methoxynaphthalen-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)[N+](=O)[O-])[O-]

DOS

IR

Vibrations