Geometry & MOs

Info

ID:	435222
PubChem CID:	135185214
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	445.257671
ΔH_f, kcal/mol:	-56.13
Dipole, Da:	3.36
IP(EA), eV:	-7.8(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC2=CC(=C(C=C2C3=C1CCCC3)OC)OCCCN4CCCC4

DOS

IR

Vibrations