Geometry & MOs

Info

ID:	299946
PubChem CID:	118043228
Reduced:	N2O2C13H13 (2)
Stoich.:	A2B2C13D13 (2)
Weight, g/mol:	451.233188
ΔH_f, kcal/mol:	-55.99
Dipole, Da:	4.72
IP(EA), eV:	-8.78(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(tert-butylcarbamoyl)anilino]-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C=CC(=O)N1CCC(CC1)NC2=CC(=C(N=C2)OC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations