Geometry & MOs

Info

ID:	420981
PubChem CID:	135115156
Reduced:	N6C15H22 (1)
Stoich.:	A6B15C22 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	62.43
Dipole, Da:	3.82
IP(EA), eV:	-8.22(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-ethylthiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CNC2=NC(=NC3=C2CCCC3)N(C)C

DOS

IR

Vibrations