Geometry & MOs

Info

ID:	328893
PubChem CID:	126728827
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	511.294725
ΔH_f, kcal/mol:	-107.41
Dipole, Da:	7.06
IP(EA), eV:	-8.79(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[C-[(Z)-1-amino-2-(dibenzylamino)prop-1-enyl]-N-ethenylcarbonimidoyl]amino]phenyl]carbamate

Drug info:

PubChemData

Smile

C/C(=C/1\C(=NC=C)N(C(=O)N1)[C@@H]2CCN(C2)C(=O)OC(C)(C)C)/N

DOS

IR

Vibrations