Geometry & MOs

Info

ID:	245216
PubChem CID:	99437917
Reduced:	BrO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-7.76
Dipole, Da:	6.35
IP(EA), eV:	-8.86(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2,5-dimethyl-N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)NC3=CC=NN3C[C@@H]4CCOC4

DOS

IR

Vibrations