Geometry & MOs

Info

ID:	159943
PubChem CID:	57299209
Reduced:	SC22H30 (1)
Stoich.:	AB22C30 (1)
Weight, g/mol:	283.204848
ΔH_f, kcal/mol:	-8.27
Dipole, Da:	1.45
IP(EA), eV:	-7.99(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4,6-dimethyl-N-(2-methyl-4-propan-2-ylphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations