Geometry & MOs

Info

ID:	430271
PubChem CID:	135170335
Reduced:	N3C27H35 (1)
Stoich.:	A3B27C35 (1)
Weight, g/mol:	354.230728
ΔH_f, kcal/mol:	31.3
Dipole, Da:	2.21
IP(EA), eV:	-8.07(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1CN3CCCC3)N=C(C4=C2NC(C4)(C)C)C5=CCCCC=C5

DOS

IR

Vibrations