Geometry & MOs

Info

ID:	421702
PubChem CID:	135116446
Reduced:	O4N5C19H25 (1)
Stoich.:	A4B5C19D25 (1)
Weight, g/mol:	298.215747
ΔH_f, kcal/mol:	-102.93
Dipole, Da:	10.41
IP(EA), eV:	-9.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyridin-3-ylpentan-1-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCCCN3C=C(CCCC(=O)NCCNC2=O)N=N3

DOS

IR

Vibrations