Geometry & MOs

Info

ID:	198462
PubChem CID:	79104541
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-55.22
Dipole, Da:	4.76
IP(EA), eV:	-8.64(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1CC1)C2=CN(C=C2)CC(=O)OCC

DOS

IR

Vibrations