Geometry & MOs

Info

ID:	331284
PubChem CID:	127248691
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-24.96
Dipole, Da:	4.9
IP(EA), eV:	-8.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)N(C)C

DOS

IR

Vibrations