Geometry & MOs

Info

ID:	435723
PubChem CID:	135192250
Reduced:	N5H29C43 (1)
Stoich.:	A5B29C43 (1)
Weight, g/mol:	124.100048
ΔH_f, kcal/mol:	242.39
Dipole, Da:	1.98
IP(EA), eV:	-7.98(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(Z)-ethylideneamino]methyl]-N-methylprop-2-yn-1-amine

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)N(C3=C2C=CC4=C3C=CC5=C4N(C6=CC=CC=C56)C7=CC=CC=C7)C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations