Geometry & MOs

Info

ID:	126675
PubChem CID:	50973084
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-24.65
Dipole, Da:	4.25
IP(EA), eV:	-8.75(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-propan-2-yl-N-[(2-prop-2-enoxyphenyl)methyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCN1CC(CC1=O)N2C=NC(=C2C3=CC=C(C=C3)NC(=O)C)C4=CC=CC=C4

DOS

IR

Vibrations