Geometry & MOs

Info

ID:	422296
PubChem CID:	135117574
Reduced:	ClN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-75.92
Dipole, Da:	6.15
IP(EA), eV:	-9.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1,2,5-trimethylpyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CCC1(CCCC1)NC(=O)C2=C(ON=C2NCCOC)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations