Geometry & MOs

Info

ID:	447360
PubChem CID:	135282256
Reduced:	ON3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	380.165997
ΔH_f, kcal/mol:	13.68
Dipole, Da:	5.92
IP(EA), eV:	-8.88(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(2-amino-2,4-dimethylpentoxy)-2,5-difluorophenyl]pyrimidin-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=CC=NC3=CC=CC=C23)OCC(C)CC(C)CN

DOS

IR

Vibrations