Geometry & MOs

Info

ID:	416466
PubChem CID:	135089481
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	308.140389
ΔH_f, kcal/mol:	-110.13
Dipole, Da:	3.36
IP(EA), eV:	-9.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)N[C@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations