Geometry & MOs

Info

ID:	427793
PubChem CID:	135163060
Reduced:	NH13C21 (2)
Stoich.:	AB13C21 (2)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	199.69
Dipole, Da:	4.01
IP(EA), eV:	-7.8(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-propan-2-yloxycarbonylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=C4C7=CC=CC=C7C8=C6N(C9=CC=CC=C98)C1=CC=CC=C1

DOS

IR

Vibrations