Geometry & MOs

Info

ID:	189757
PubChem CID:	77900797
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	364.247441
ΔH_f, kcal/mol:	19.18
Dipole, Da:	8.06
IP(EA), eV:	-8.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2C3CCC(C2=O)CN(C3)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations