Geometry & MOs

Info

ID:	298786
PubChem CID:	117656800
Reduced:	FOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	532.279804
ΔH_f, kcal/mol:	-132.29
Dipole, Da:	1.92
IP(EA), eV:	-10.45(1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[6-amino-5-nitro-2-(2,4,6-trimethylphenyl)pyrimidin-4-yl]-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]amino]acetate

Drug info:

PubChemData

Smile

CCC(CC(C1CC1)(O)F)C(C)(C)C

DOS

IR

Vibrations