Geometry & MOs

Info

ID:	435221
PubChem CID:	135185120
Reduced:	F3N3O4C28H36 (1)
Stoich.:	A3B3C4D28E36 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-298.03
Dipole, Da:	5.45
IP(EA), eV:	-8.09(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydrophenanthridin-6-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CCC3OC(=O)C(F)(F)F)C(=N2)NC4CCCCC4)OCCCN5CCCC5

DOS

IR

Vibrations