Geometry & MOs

Info

ID:	216029
PubChem CID:	85085600
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	215.142248
ΔH_f, kcal/mol:	3.37
Dipole, Da:	3.89
IP(EA), eV:	-8.82(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]aniline

Drug info:

PubChemData

Smile

C1CC2C=CC(C1)(N2CC3=CC=CC=C3)O

DOS

IR

Vibrations