Geometry & MOs

Info

ID:	184398
PubChem CID:	77156020
Reduced:	N2O5C30H32 (1)
Stoich.:	A2B5C30D32 (1)
Weight, g/mol:	312.216141
ΔH_f, kcal/mol:	-124.43
Dipole, Da:	7.14
IP(EA), eV:	-8.2(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(1H-imidazol-5-yl)propanoic acid;N,N-diethyl-3-methylbutanamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C2=C(C=C1C)[N+](=C(C=C2)C)[O-])C3=C4C5=C(C=C3)OCCC5=CC=N4)OC(C)(C)C

DOS

IR

Vibrations