Geometry & MOs

Info

ID:	83605
PubChem CID:	49858691
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	467.12084
ΔH_f, kcal/mol:	1.56
Dipole, Da:	2.99
IP(EA), eV:	-8.94(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-benzyl-4-(4-bromophenyl)-2-(cyclopropylmethylamino)-6-methyl-4H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1[C@@H]([C@H](OC2)[C@@H](CN=[N+]=[N-])O)C=CC3=CC=CC=C3

DOS

IR

Vibrations