Geometry & MOs

Info

ID:	343429
PubChem CID:	127266602
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	272.116092
ΔH_f, kcal/mol:	-100.59
Dipole, Da:	4.17
IP(EA), eV:	-8.37(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CC1CCN(CC1)C(=O)C2(CC2)NC3=CC=CC=C3

DOS

IR

Vibrations