Geometry & MOs

Info

ID:	73630
PubChem CID:	48419545
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	367.171834
ΔH_f, kcal/mol:	10.37
Dipole, Da:	5.77
IP(EA), eV:	-8.82(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylindol-3-yl)-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=NC(=CC2=CC=CC=C21)C(=O)NCCCN3C=NC4=CC=CC=C43

DOS

IR

Vibrations