Geometry & MOs

Info

ID:	10515
PubChem CID:	103682
Reduced:	NO7C25H29 (1)
Stoich.:	AB7C25D29 (1)
Weight, g/mol:	455.194402
ΔH_f, kcal/mol:	-226.99
Dipole, Da:	1.13
IP(EA), eV:	-9.13(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;2-methyl-N-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)propan-1-amine

Drug info:

PubChemData

Smile

CC(C)CNCC1COC2(O1)C3=CC=CC=C3COC4=CC=CC=C24.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations