Geometry & MOs

Info

ID:	297443
PubChem CID:	117617682
Reduced:	FO4N8C48H51 (1)
Stoich.:	AB4C8D48E51 (1)
Weight, g/mol:	112.100048
ΔH_f, kcal/mol:	-82.9
Dipole, Da:	5.91
IP(EA), eV:	-8.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-N-ethenyl-1-N-methylprop-1-ene-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CC)C(C1=CC=CC=C1)C(=O)N2CCC[C@H]2C3=NC=C(N3)C4=CC=C(C=C4)C5=CC(=C(C=C5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)[C@@H](C8=CC=CC=C8)NC(=O)OC)F

DOS

IR

Vibrations