Geometry & MOs

Info

ID:	343795
PubChem CID:	127266971
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	333.187484
ΔH_f, kcal/mol:	31.68
Dipole, Da:	3.14
IP(EA), eV:	-9.26(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(5-methylthiolan-3-yl)amino]phenyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)CCNC2CCC(CC2)C#N

DOS

IR

Vibrations