Geometry & MOs

Info

ID:	349424
PubChem CID:	127275211
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	16.19
Dipole, Da:	3.17
IP(EA), eV:	-8.82(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-1,2-oxazol-5-yl)-2-(4-phenylazepan-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)N3CCCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations