Geometry & MOs

Info

ID:	145869
PubChem CID:	53605303
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	-22.52
Dipole, Da:	3.42
IP(EA), eV:	-8.76(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-2-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C1CC1)N(CC2=CC=C(C=C2)OC)C(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations