Geometry & MOs

Info

ID:	188309
PubChem CID:	77696910
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	408.288912
ΔH_f, kcal/mol:	-109.48
Dipole, Da:	6.62
IP(EA), eV:	-9.63(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-ethyl-3-[6-ethyl-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-ylpyridin-2-yl]methanamine

Drug info:

PubChemData

Smile

C1C(CC(C2C1C(=O)CC(N2)C(=O)O)N)C3=CC=CC=C3

DOS

IR

Vibrations