Geometry & MOs

Info

ID:	322176
PubChem CID:	126669087
Reduced:	N2O9C26H38 (1)
Stoich.:	A2B9C26D38 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-416.45
Dipole, Da:	6.63
IP(EA), eV:	-9.62(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@H](CCC(=O)O)NC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)OCCCC

DOS

IR

Vibrations