Geometry & MOs

Info

ID:	216821
PubChem CID:	85086829
Reduced:	NO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	305.158685
ΔH_f, kcal/mol:	-150.23
Dipole, Da:	6.15
IP(EA), eV:	-9.52(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine;2,3-dihydroxybutanedioic acid

Drug info:

PubChemData

Smile

CC(=O)NCC1C2C(O2)C3C(O1)COC(O3)C4=CC=CC=C4

DOS

IR

Vibrations