Geometry & MOs

Info

ID:	430246
PubChem CID:	135170310
Reduced:	N3C23H35 (1)
Stoich.:	A3B23C35 (1)
Weight, g/mol:	421.309313
ΔH_f, kcal/mol:	4.67
Dipole, Da:	2.51
IP(EA), eV:	-7.83(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(CCC1)C2=C(C=C(C(=C2)C)CN3CCCC3)NNC4CCCC4

DOS

IR

Vibrations