Geometry & MOs

Info

ID:	427456
PubChem CID:	135159055
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	-85.93
Dipole, Da:	5.49
IP(EA), eV:	-8.51(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-ethyl-2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]methanol

Drug info:

PubChemData

Smile

CN(C)/C(=C(\C(=C)C1=CC=C(C=C1)COCCO)/O)/C2NC3=C(N2)C=C(C=C3)C(=O)N

DOS

IR

Vibrations