Geometry & MOs

Info

ID:	286848
PubChem CID:	104223197
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-31.28
Dipole, Da:	3.43
IP(EA), eV:	-9.25(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]oxyaniline

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN=C(N=C1)OC2=CC=C(C=C2)CO

DOS

IR

Vibrations