Geometry & MOs

Info

ID:	284273
PubChem CID:	104039148
Reduced:	N5C12H17 (1)
Stoich.:	A5B12C17 (1)
Weight, g/mol:	161.095297
ΔH_f, kcal/mol:	48.88
Dipole, Da:	3.57
IP(EA), eV:	-8.62(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-but-3-ynylpyridine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CCCNC2=CC(=NC=C2)N

DOS

IR

Vibrations