Geometry & MOs

Info

ID:	130925
PubChem CID:	51130048
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	352.07864
ΔH_f, kcal/mol:	62.71
Dipole, Da:	5.04
IP(EA), eV:	-8.88(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-bromophenyl)morpholin-4-yl]-N-cyclopropylpropanamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CSC=C2)CC3=NN(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations