Geometry & MOs

Info

ID:	435581
PubChem CID:	135191860
Reduced:	ClO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	357.156767
ΔH_f, kcal/mol:	-126.08
Dipole, Da:	3.73
IP(EA), eV:	-9.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[6-chloro-5-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-3-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=C1C(=O)C)OC)O)Cl

DOS

IR

Vibrations