Geometry & MOs

Info

ID:	331247
PubChem CID:	127248654
Reduced:	O2N6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-29.55
Dipole, Da:	4.55
IP(EA), eV:	-8.57(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)CC(=O)N3CCCC3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations