Geometry & MOs

Info

ID:	416162
PubChem CID:	135089170
Reduced:	O2N3C15H21 (2)
Stoich.:	A2B3C15D21 (2)
Weight, g/mol:	392.096141
ΔH_f, kcal/mol:	-147.03
Dipole, Da:	5.89
IP(EA), eV:	-9.0(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenoxy)-1-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC3=CN=CC=C3)C(C)C

DOS

IR

Vibrations