Geometry & MOs

Info

ID:	415123
PubChem CID:	135088109
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	311.210996
ΔH_f, kcal/mol:	-11.32
Dipole, Da:	6.67
IP(EA), eV:	-9.03(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(1H-indol-7-ylmethyl)-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CC1=C2C=CC=C3C2=C(COC3=O)C=C1)CC4=NC=CN4C

DOS

IR

Vibrations