Geometry & MOs

Info

ID:	418374
PubChem CID:	135104393
Reduced:	O2N3C9H10 (2)
Stoich.:	A2B3C9D10 (2)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	8.66
IP(EA), eV:	-9.66(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[methyl-[(2-propan-2-ylpyrimidin-4-yl)methyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)COC3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations