Geometry & MOs

Info

ID:	314314
PubChem CID:	126621280
Reduced:	O6H60C73 (1)
Stoich.:	A6B60C73 (1)
Weight, g/mol:	150.115698
ΔH_f, kcal/mol:	-19.02
Dipole, Da:	3.99
IP(EA), eV:	-8.58(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-prop-1-en-2-yl-1,2-dihydropyridin-3-amine

Drug info:

Smile

CC1=C(C2=CC=CC=C2C=C1)C3(OCCC(O3)C4=CC(=C(C5=CC=CC=C54)C6(OCC(O6)C7=CC(=C(C8=CC=CC=C87)C(C9=CC1=CC=CC=C1C=C9)(OC)OC)C)C1=CC2=CC=CC=C2C=C1)C)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations