Geometry & MOs

Info

ID:	435223
PubChem CID:	135185226
Reduced:	N3O5C24H35 (1)
Stoich.:	A3B5C24D35 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-194.15
Dipole, Da:	3.87
IP(EA), eV:	-8.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydrophenanthridin-6-yl]amino]ethanol

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CCCC3)C(=N2)NCCO)OCCCN4CCCC4.C(=O)O

DOS

IR

Vibrations