Geometry & MOs

Info

ID:	401736
PubChem CID:	135052354
Reduced:	OPCl2N3H28C32 (1)
Stoich.:	ABC2D3E28F32 (1)
Weight, g/mol:	114.042927
ΔH_f, kcal/mol:	95.13
Dipole, Da:	13.55
IP(EA), eV:	-7.77(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-amino-3-oxoprop-1-en-2-yl]formamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N/C(=C\[N+]2=CC=CC=C2N)/P(C3=CC=CC=C3)(C4=CC=CC=C4)(C5=CC=CC=C5)Cl.[Cl-]

DOS

IR

Vibrations