Geometry & MOs

Info

ID:	196536
PubChem CID:	78845657
Reduced:	Cl2O2N3C18H21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	412.247441
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	9.29
IP(EA), eV:	-9.31(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C(C)(C)C)C(=O)NC(C)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations