Geometry & MOs

Info

ID:	422297
PubChem CID:	135117576
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-62.81
Dipole, Da:	5.0
IP(EA), eV:	-8.5(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylamino]pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)N2CCC(CC2)C(C3=NC=CN3C)O

DOS

IR

Vibrations