Geometry & MOs

Info

ID:	447312
PubChem CID:	135281925
Reduced:	N2O2C21H42 (1)
Stoich.:	A2B2C21D42 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-161.33
Dipole, Da:	0.2
IP(EA), eV:	-9.11(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-methylphenyl]pyrimidin-4-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NNC(=O)CC

DOS

IR

Vibrations