Geometry & MOs

Info

ID:	430117
PubChem CID:	135170178
Reduced:	NSO3H23C28 (1)
Stoich.:	ABC3D23E28 (1)
Weight, g/mol:	379.298748
ΔH_f, kcal/mol:	6.91
Dipole, Da:	5.89
IP(EA), eV:	-8.41(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-propan-2-yl-3-(4-pyrrolidin-1-ylbutyl)-7,8,9,10-tetrahydrophenanthridin-6-amine

Drug info:

PubChemData

Smile

C#CCCCCOC1=CC(=CC(=C1)O)C2C3=C(C4=CC=CC=C4C3=O)NC5=CC=CC=C5S2

DOS

IR

Vibrations