Geometry & MOs

Info

ID:	331275
PubChem CID:	127248682
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	434.243024
ΔH_f, kcal/mol:	-40.09
Dipole, Da:	4.25
IP(EA), eV:	-8.93(-0.56)
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]-(2-propan-2-ylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)C(=O)N)N(C)C

DOS

IR

Vibrations