Geometry & MOs

Info

ID:	397069
PubChem CID:	135029676
Reduced:	BrOSiC20H23 (1)
Stoich.:	ABCD20E23 (1)
Weight, g/mol:	157.048741
ΔH_f, kcal/mol:	0.55
Dipole, Da:	3.13
IP(EA), eV:	-8.9(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(nitromethyl)-4,5-dihydro-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C(CC(=C(C1)C#C[Si](C)(C)C)C(=O)C2=CC=C(C=C2)Br)C

DOS

IR

Vibrations