Geometry & MOs

Info

ID:	418667
PubChem CID:	135106528
Reduced:	N2O2C15H26 (1)
Stoich.:	A2B2C15D26 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-118.43
Dipole, Da:	3.31
IP(EA), eV:	-8.85(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[cyclopropyl-[(2-ethylpyrimidin-5-yl)methyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations