Geometry & MOs

Info

ID:	130276
PubChem CID:	51075477
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-93.57
Dipole, Da:	2.81
IP(EA), eV:	-8.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN(C)C(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations