Geometry & MOs

Info

ID:	306326
PubChem CID:	125003765
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	391.237211
ΔH_f, kcal/mol:	-61.71
Dipole, Da:	2.99
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(3S)-1-methylpyrrolidin-3-yl]-1H-pyrazol-4-yl]-N-[(3-propan-2-yloxyphenyl)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C2CC(=O)N(C2=NC(=N1)[C@]3(CCCN3)C)CCOC

DOS

IR

Vibrations