Geometry & MOs

Info

ID:	379200
PubChem CID:	134356717
Reduced:	N3O5C18H27 (1)
Stoich.:	A3B5C18D27 (1)
Weight, g/mol:	174.115698
ΔH_f, kcal/mol:	-223.51
Dipole, Da:	5.64
IP(EA), eV:	-9.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-penta-1,2-dien-3-ylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OC)NC(=O)C1=CN=CC=C1

DOS

IR

Vibrations