Geometry & MOs

Info

ID:	192689
PubChem CID:	78302668
Reduced:	N5O5C22H37 (1)
Stoich.:	A5B5C22D37 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-233.85
Dipole, Da:	7.89
IP(EA), eV:	-9.41(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[(2-amino-3-methylpentanoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCC1C=CC(C=C1)N)C(=O)NC(CCC(=O)N)C(=O)O)NC

DOS

IR

Vibrations