Geometry & MOs

Info

ID:	18976
PubChem CID:	551957
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-120.03
Dipole, Da:	3.05
IP(EA), eV:	-8.28(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2,2-bis(hydroxymethyl)-9-methyl-6,18-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-8-ol

Drug info:

PubChemData

Smile

CCN1CCC2C(C1)(C(CC3=C(C2(CO)CO)NC4=CC=CC=C34)C)O

DOS

IR

Vibrations