Geometry & MOs

Info

ID:	286028
PubChem CID:	104146886
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-56.11
Dipole, Da:	2.93
IP(EA), eV:	-8.91(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-6-ethylpyridin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)N(CCO)C2CC2)N

DOS

IR

Vibrations