Geometry & MOs

Info

ID:	216636
PubChem CID:	85086531
Reduced:	N3O5C12H21 (1)
Stoich.:	A3B5C12D21 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-216.98
Dipole, Da:	3.16
IP(EA), eV:	-9.53(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-dimethyl-4-(morpholin-4-ylmethylidene)-2,3-dihydro-1-benzoxepin-5-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC(=O)NO

DOS

IR

Vibrations