Geometry & MOs

Info

ID:	331278
PubChem CID:	127248685
Reduced:	FON6C23H29 (1)
Stoich.:	ABC6D23E29 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	-12.48
Dipole, Da:	4.49
IP(EA), eV:	-8.66(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxyphenyl)-N,N-dimethyl-4-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NN(CC1)CCC(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)F)N(C)C

DOS

IR

Vibrations