Geometry & MOs

Info

ID:	323726
PubChem CID:	126675845
Reduced:	NO2C7H15 (1)
Stoich.:	AB2C7D15 (1)
Weight, g/mol:	380.243693
ΔH_f, kcal/mol:	-108.52
Dipole, Da:	3.45
IP(EA), eV:	-9.24(1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[(3-piperazin-1-ylphenyl)methyliminomethyl]prop-2-enyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

CC1[C@H](CC[C@@H](O1)O)NC

DOS

IR

Vibrations