Geometry & MOs

Info

ID:	447188
PubChem CID:	135281040
Reduced:	NOC10H16 (2)
Stoich.:	ABC10D16 (2)
Weight, g/mol:	408.227374
ΔH_f, kcal/mol:	-108.26
Dipole, Da:	4.14
IP(EA), eV:	-9.22(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[2-methyl-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]carbamic acid

Drug info:

PubChemData

Smile

CCCCC(CCC)C1(CCCCN1C(=O)N)OC2=CC=CC=C2

DOS

IR

Vibrations