Geometry & MOs

Info

ID:	262005
PubChem CID:	103265995
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-38.91
Dipole, Da:	4.48
IP(EA), eV:	-9.48(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-methoxy-2-methylpropyl)amino]methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC#C)NCC1=CC=C(C=C1)CC(=O)O

DOS

IR

Vibrations