Geometry & MOs

Info

ID:	296982
PubChem CID:	117604389
Reduced:	N3O5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	407.173273
ΔH_f, kcal/mol:	-126.63
Dipole, Da:	10.68
IP(EA), eV:	-9.51(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(7-ethyl-1,3-benzodioxol-5-yl)-3-methoxy-2-naphthalen-2-ylpropyl]carbamic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C1=C(N2C(=CC(=N2)C(=O)O)N=C1C)C3=CC=CC=C3C=C)OC(C)(C)C

DOS

IR

Vibrations