Geometry & MOs

Info

ID:	349422
PubChem CID:	127275209
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	14.88
Dipole, Da:	3.69
IP(EA), eV:	-8.64(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-phenylazepan-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(CCN(C1)CCC(=O)N2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4

DOS

IR

Vibrations