Geometry & MOs

Info

ID:	332756
PubChem CID:	127251066
Reduced:	N6C19H30 (1)
Stoich.:	A6B19C30 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	56.69
Dipole, Da:	2.92
IP(EA), eV:	-8.48(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[3-[2-(dimethylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)CN1CCC(C1)C2=NC(=NC=C2C3=CN(N=C3)C)N(C)C

DOS

IR

Vibrations